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26976-92-1 molecular structure
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1,2,4,5-tetramethylcyclohexa-1,4-diene

ChemBase ID: 147406
Molecular Formular: C10H16
Molecular Mass: 136.23404
Monoisotopic Mass: 136.12520051
SMILES and InChIs

SMILES:
CC1=C(CC(=C(C1)C)C)C
Canonical SMILES:
CC1=C(C)CC(=C(C1)C)C
InChI:
InChI=1S/C10H16/c1-7-5-9(3)10(4)6-8(7)2/h5-6H2,1-4H3
InChIKey:
GACALPFXAWHEBC-UHFFFAOYSA-N

Cite this record

CBID:147406 http://www.chembase.cn/molecule-147406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,4,5-tetramethylcyclohexa-1,4-diene
IUPAC Traditional name
1,2,4,5-tetramethylcyclohexa-1,4-diene
Synonyms
1,2,4,5-Tetramethyl-1,4-cyclohexadiene
1,2,4,5-四甲基-1,4-环己二烯
CAS Number
26976-92-1
MDL Number
MFCD00010373
PubChem SID
162241594
PubChem CID
5052860

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
283347 external link Add to cart Please log in.
Data Source Data ID
PubChem 5052860 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9170136  LogD (pH = 7.4) 2.9170136 
Log P 2.9170136  Molar Refractivity 46.9672 cm3
Polarizability 18.013159 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C10H16 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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